SCHEMBL3208307

SCHEMBL3208307

CC(C)(C)OC(=O)N[C@H]1CC[C@H](N2CCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.50
BTK Q06187 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
SIGMAR1 Q99720 2/20 0.46
GAA P10253 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OGFRL1 Q5TC84 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DRD2 P14416 3/20 0.44
EPHX1 P07099 2/20 0.44
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
JAK1 P23458 2/20 0.42
CYP2C9 P11712 1/20 0.42
HSD11B1 P28845 1/20 0.42
JAK2 O60674 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4157853 1.00 CTSK (0.50) CTSKBTKCA1CA2SIGMAR1
SCHEMBL1543136 1.00 CTSK (0.50) CTSKBTKCA1CA2SIGMAR1
SCHEMBL4157829 0.98 CTSK (0.49) CTSKBTKCA1CA2SIGMAR1
SCHEMBL3947708 0.98 CTSK (0.49) CTSKBTKCA1CA2SIGMAR1
SCHEMBL20273958 0.98 CTSK (0.49) CTSKBTKCA1CA2SIGMAR1
SCHEMBL20438259 0.97 CTSK (0.50) CTSKBTKCA1CA2SIGMAR1
SCHEMBL3545803 0.97 CTSK (0.50) CTSKBTKCA1CA2SIGMAR1
SCHEMBL24065227 0.94 CA1 (0.56) CTSKBTKCA1CA2SIGMAR1
SCHEMBL12794288 0.94 CTSK (0.52) CTSKBTKCA1CA2SIGMAR1
SCHEMBL12794285 0.94 CTSK (0.52) CTSKBTKCA1CA2SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE PARAZA PHARMA, INC. (CA) 2023-02-16 US disclosed
EP-3331877-B1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2021-09-22 EP disclosed
US-20210251992-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2021-08-19 US disclosed
US-10960003-B2 Pyrazole pyrimidine derivative and uses thereof BIOTHERYX, INC. (US) 2021-03-30 US disclosed
WO-2020142612-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES. GENENTECH, INC. (US) 2020-07-09 WO disclosed
US-10376511-B2 Pyrazole pyrimidine derivative and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2019-08-13 US disclosed
US-20180214447-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. ISRAELI COMPANY, OF (IL) 2018-08-02 US disclosed
US-20180214447-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. ISRAELI COMPANY, OF (IL) 2018-08-02 US disclosed
WO-2017021969-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2017-02-09 WO disclosed
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP disclosed
EP-1323710-B1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-10 EP disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
CN-1891689-A Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO (JP) 2007-01-10 CN disclosed
US-7138397-B2 Nitrogenous 5-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2006-11-21 US disclosed
US-20060241146-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2006-10-26 US disclosed
CN-1257891-C Nitrogenous five-membered ring compound TANABE SEIYAKU CO (JP) 2006-05-31 CN disclosed
US-20050054678-A1 Nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-03-10 US disclosed
CN-1468216-A Nitrogenous five-membered ring compound ������ҩ��ʽ���� 2004-01-14 CN disclosed
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060241146-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 CTSK 4820/4885BTK 560/4885CA1 1297/4885
US-10960003-B2 Pyrazole pyrimidine derivative and uses thereof IRAK1, IRAK2, IRAK3 CTSK 404/4885BTK 206/4885CA1 3312/4885
US-20210251992-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF IRAK1, IRAK2, IRAK3 CTSK 404/4885BTK 206/4885CA1 3312/4885
US-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE TYMP, TYMS, DPYD CTSK 3074/4885BTK 1775/4885CA1 4838/4885
US-10376511-B2 Pyrazole pyrimidine derivative and uses thereof IRAK1, IRAK2, IRAK3 CTSK 404/4885BTK 206/4885CA1 3312/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 CTSK 4833/4885BTK 698/4885CA1 1274/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 CTSK 4828/4885BTK 637/4885CA1 1345/4885
US-20180214447-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF IRAK1, IRAK2, IRAK3 CTSK 404/4885BTK 206/4885CA1 3312/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.